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Information card for entry 2203783
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Coordinates | 2203783.cif |
---|---|
Original IUCr paper | HTML |
Common name | tetramethylammonium oxodisulfatevanadate |
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Chemical name | Tetrakis(tetramethylammonium) di-am-sulfato-bis[oxosulfatovanadium(V)] |
Formula | C16 H48 N4 O18 S4 V2 |
Calculated formula | C16 H48 N4 O18 S4 V2 |
SMILES | C[N+](C)(C)C.C[N+](C)(C)C.O=[V]12(OS(=O)(=O)O[V]3(=O)(OS(=O)(=O)O2)OS(=O)(=O)O3)OS(=O)(=O)O1.C[N+](C)(C)C.C[N+](C)(C)C |
Title of publication | Tetrakis(tetramethylammonium) di-μ-sulfato-bis[oxosulfatovanadate(V)] |
Authors of publication | Ngala, Katana; Zavalij, Peter Y.; Whittingham, M. Stanley |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 6 |
Pages of publication | m881 - m883 |
a | 13.1346 ± 0.0012 Å |
b | 9.2316 ± 0.0009 Å |
c | 14.2385 ± 0.0014 Å |
α | 90° |
β | 95.171 ± 0.002° |
γ | 90° |
Cell volume | 1719.4 ± 0.3 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.0777 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2203783.html
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